2-[3-methyl-8-oxidanyl-1-oxidanylidene-6-phenylmethoxy-5-(phenylmethyl)isoquinolin-2-yl]ethanoic acid

Systemtic Name: 2-[3-methyl-8-oxidanyl-1-oxidanylidene-6-phenylmethoxy-5-(phenylmethyl)isoquinolin-2-yl]ethanoic acid Openeye Name: 2-(5-benzyl-6-benzyloxy-8-hydroxy-3-methyl-1-oxo-2-isoquinolyl)acetic acid CAS Name: 2-[8-hydroxy-3-methyl-1-oxo-6-phenylmethoxy-5-(phenylmethyl)-2-isoquinolinyl]acetic acid IUPAC Name: 2-(5-benzyl-8-hydroxy-3-methyl-1-oxo-6-phenylmethoxyisoquinolin-2-yl)acetic acid Traditional Name: 2-(6-benzoxy-5-benzyl-8-hydroxy-1-keto-3-methyl-2-isoquinolyl)acetic acid Formula: C26H23NO5 MolecularWeight: 429.46452

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C(=CC(=C2CC3=CC=CC=C3)OCC4=CC=CC=C4)O)C(=O)N1CC(=O)O

Isomeric SMILES

CC1=CC2=C(C(=CC(=C2CC3=CC=CC=C3)OCC4=CC=CC=C4)O)C(=O)N1CC(=O)O

InChI

InChI=1S/C26H23NO5/c1-17-12-21-20(13-18-8-4-2-5-9-18)23(32-16-19-10-6-3-7-11-19)14-22(28)25(21)26(31)27(17)15-24(29)30/h2-12,14,28H,13,15-16H2,1H3,(H,29,30)